3-(2-morpholin-4-yl-2-oxoethyl)azetidine-1-carboxylic acid

C10H16N2O4 — CID 145259546

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(CC(=O)N2CCOCC2)C1
InChIInChI=1S/C10H16N2O4/c13-9(11-1-3-16-4-2-11)5-8-6-12(7-8)10(14)15/h8H,1-7H2,(H,14,15)
InChIKeyMDLRKNTXCBYWDF-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.15
Rot. Bonds2

About 3-(2-morpholin-4-yl-2-oxoethyl)azetidine-1-carboxylic acid

3-(2-morpholin-4-yl-2-oxoethyl)azetidine-1-carboxylic acid (PubChem CID 145259546) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)azetidine-1-carboxylic acid
PubChem CID145259546
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(CC(=O)N2CCOCC2)C1
InChIInChI=1S/C10H16N2O4/c13-9(11-1-3-16-4-2-11)5-8-6-12(7-8)10(14)15/h8H,1-7H2,(H,14,15)
InChIKeyMDLRKNTXCBYWDF-UHFFFAOYSA-N
XLogP-0.15
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methylpropyl)azetidin-3-yl]-1-morpholin-4-ylethanone
CID 174897023
2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]acetic acid
CID 64616071
1-morpholin-4-yl-2-(oxan-3-yl)ethanone
CID 110849361
1-morpholin-4-yl-2-(4-propan-2-ylcyclohexyl)ethanone
CID 58394969
4-(2-morpholin-4-yl-2-oxoethoxy)piperidine-1-carboxylic acid
CID 123694815
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 175649098
1-[4-(aminomethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
CID 175660425
2-(1-aminocyclobutyl)-1-morpholin-4-ylethanone
CID 79851869
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665
(2-morpholin-4-yl-2-oxoethyl)azanide;yttrium
CID 176949022
(2S)-2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95318440
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 119834264

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)azetidine-1-carboxylic acid?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)azetidine-1-carboxylic acid (CID 145259546) is 3-(2-morpholin-4-yl-2-oxoethyl)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)azetidine-1-carboxylic acid is O=C(O)N1CC(CC(=O)N2CCOCC2)C1.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)azetidine-1-carboxylic acid?
The InChIKey is MDLRKNTXCBYWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-9(11-1-3-16-4-2-11)5-8-6-12(7-8)10(14)15/h8H,1-7H2,(H,14,15).
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)azetidine-1-carboxylic acid?
3-(2-morpholin-4-yl-2-oxoethyl)azetidine-1-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)azetidine-1-carboxylic acid is sourced from PubChem (CID 145259546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).